5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole

C4H3F5N4 — CID 87664936

IUPAC5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCc1nnnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5N4/c1-2-10-11-12-13(2)4(8,9)3(5,6)7/h1H3
InChIKeyUTYASVVEZFUIGN-UHFFFAOYSA-N
MW202.09 g/mol
LogP1.09
Rot. Bonds1

About 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole

5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 87664936) has the molecular formula C4H3F5N4 and a molecular weight of 202.09 g/mol. Its IUPAC name is 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID87664936
Molecular FormulaC4H3F5N4
Molecular Weight202.09 g/mol
Exact Mass202.03
IUPAC Name5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCc1nnnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5N4/c1-2-10-11-12-13(2)4(8,9)3(5,6)7/h1H3
InChIKeyUTYASVVEZFUIGN-UHFFFAOYSA-N
XLogP1.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
5-hexyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87665284
1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
CID 130933772
1-hydroxy-5-methyltetrazole
CID 13223279
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664496
2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664808
1-[dichloro-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]-5-[4-(trifluoromethyl)phenyl]tetrazole
CID 87323366
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole
CID 143612480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 87664936) is 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole is Cc1nnnn1C(F)(F)C(F)(F)F.
What is the InChIKey of 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is UTYASVVEZFUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5N4/c1-2-10-11-12-13(2)4(8,9)3(5,6)7/h1H3.
What are the key properties of 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole?
5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 202.09 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 87664936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).